6-methyl-3-(4-methylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium

Systemtic Name: 6-methyl-3-(4-methylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Openeye Name: 6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 6-methyl-3-(4-methylphenyl)sulfonyl-4-(4-methyl-1-piperazin-4-iumyl)quinolin-1-ium IUPAC Name: 6-methyl-3-(4-methylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Traditional Name: 6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-tosyl-quinolin-1-ium Formula: C22H27N3O2S+2 MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CC[NH+](CC4)C)C

InChI

InChI=1S/C22H25N3O2S/c1-16-4-7-18(8-5-16)28(26,27)21-15-23-20-9-6-17(2)14-19(20)22(21)25-12-10-24(3)11-13-25/h4-9,14-15H,10-13H2,1-3H3/p+2